| SpectraBase Compound ID | 4wtpd6Y3PKo |
|---|---|
| InChI | InChI=1S/C53H82O15/c1-31-26-43(66-53(28-31)44(57)14-13-39(65-53)29-50(8,60)49(59)61-30-32(2)25-35(5)40(55)18-23-54)33(3)11-12-38-16-21-52(64-38)22-17-42-48(68-52)45(58)37(7)47(63-42)41(56)27-36(6)46-34(4)15-20-51(67-46)19-9-10-24-62-51/h11-12,28,33-34,36,38-48,54-58,60H,2,5,7,9-10,13-27,29-30H2,1,3-4,6,8H3/b12-11+/t33-,34+,36-,38-,39-,40?,41-,42?,43+,44+,45-,46?,47+,48?,50?,51-,52-,53-/m1/s1 |
| InChIKey | LHZQQOYRHSDRDV-GKLDZADASA-N |
| Mol Weight | 959.2 g/mol |
| Molecular Formula | C53H82O15 |
| Exact Mass | 958.565372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3af4eRRIq0Y |
|---|---|
| Name | LHZQQOYRHSDRDV-GKLDZADASA-N |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H82O15 |
| InChI | InChI=1S/C53H82O15/c1-31-26-43(66-53(28-31)44(57)14-13-39(65-53)29-50(8,60)49(59)61-30-32(2)25-35(5)40(55)18-23-54)33(3)11-12-38-16-21-52(64-38)22-17-42-48(68-52)45(58)37(7)47(63-42)41(56)27-36(6)46-34(4)15-20-51(67-46)19-9-10-24-62-51/h11-12,28,33-34,36,38-48,54-58,60H,2,5,7,9-10,13-27,29-30H2,1,3-4,6,8H3/b12-11+/t33-,34+,36-,38-,39-,40?,41-,42?,43+,44+,45-,46?,47+,48?,50?,51-,52-,53-/m1/s1 |
| InChIKey | LHZQQOYRHSDRDV-GKLDZADASA-N |
| Literature Reference Author | B.SUAREZ-GOMEZ,M.L.SOUTO,P.G.CRUZ,J.J.FERNANDEZ,M.NORTE |
| Literature Reference Citation | J.NAT.PROD.,68,596(2005) |
| Literature Reference DOI | 10.1021/np040183t |
| Molecular Weight | 959.225 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ9644 |